Information card for entry 2227171

Structure parameters

• Chemical name: 4-[(4-Methylbenzyl)amino]-3-[(4-methylbenzyl)iminomethyl]-2<i>H</i>-chromen- 2-one
• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: o1c(=O)c(c(NCc2ccc(cc2)C)c2ccccc12)/C=N/Cc1ccc(cc1)C
• Title of publication: 4-[(4-Methylbenzyl)amino]-3-[(4-methylbenzyl)iminomethyl]-2<i>H</i>-chromen-2-one
• Authors of publication: Rambabu, D.; Rama Krishna, G.; Malla Reddy, C.; Pal, Manojit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2870
• a: 6.8137 ± 0.0002 Å
• b: 9.2636 ± 0.0003 Å
• c: 17.4364 ± 0.0005 Å
• α: 99.525 ± 0.002°
• β: 97.423 ± 0.002°
• γ: 107.251 ± 0.002°
• Cell volume: 1017.84 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes